#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yry s SER 2 N 0.00 0.95 -0.02 1.61 0.15 -1.26 -5.17 113.70 109.97 2yry s SER 2 Ca 0.00 -1.14 -0.02 0.00 0.70 0.00 0.00 55.95 55.49 2yry s SER 2 Cb 0.00 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 2yry s SER 2 CO 0.00 -0.59 0.05 -0.44 1.20 0.00 0.00 173.24 173.46 2yry s SER 3 N -3.11 -0.02 0.00 5.45 0.01 -1.26 -5.16 113.70 109.61 2yry s SER 3 Ca 0.21 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.50 2yry s SER 3 Cb 0.06 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.41 2yry s SER 3 CO 0.01 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2yry n GLY 4 N 2.82 5.83 3.47 3.44 0.00 -1.26 -5.16 105.19 114.33 2yry n GLY 4 Ca -0.14 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 43.83 2yry n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yry s SER 5 N 0.59 -0.73 0.77 1.61 1.04 -1.26 -5.16 113.70 110.57 2yry s SER 5 Ca 0.00 1.22 -0.15 0.00 0.48 0.00 0.00 55.95 57.50 2yry s SER 5 Cb 0.00 1.12 0.02 0.00 0.10 0.00 0.00 66.02 67.25 2yry s SER 5 CO 0.00 -0.22 0.82 -1.54 0.98 0.00 0.00 173.24 173.28 2yry n SER 6 N 4.07 -0.24 0.00 7.02 3.41 -1.26 -4.95 113.62 121.67 2yry n SER 6 Ca -0.20 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 2yry n SER 6 Cb 0.57 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 2yry n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yry n GLY 7 N 1.18 -1.78 0.00 5.00 0.00 -1.26 -5.11 105.19 103.22 2yry n GLY 7 Ca 0.11 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.81 2yry n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yry n GLY 8 N 0.00 -0.34 3.16 -0.02 0.00 -1.26 -5.19 105.19 101.55 2yry n GLY 8 Ca 0.00 0.18 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 2yry n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yry s LYS 9 N 0.00 0.81 0.01 1.61 -2.85 -1.26 -5.16 119.74 112.90 2yry s LYS 9 Ca 0.00 -1.27 0.04 0.00 -1.00 0.00 0.00 55.97 53.74 2yry s LYS 9 Cb 0.00 -0.25 -0.03 0.00 -2.06 0.00 0.00 37.83 35.49 2yry s LYS 9 CO 0.00 -0.00 -0.11 1.03 0.10 0.00 0.00 175.35 176.37 2yry s ARG 10 N -3.53 2.41 -0.14 1.78 1.81 -1.26 -5.03 118.95 114.99 2yry s ARG 10 Ca 0.09 -0.79 -0.05 0.00 -1.72 0.00 0.00 55.73 53.27 2yry s ARG 10 Cb 0.03 -2.40 -0.07 0.00 -0.45 0.00 0.00 34.95 32.06 2yry s ARG 10 CO -0.04 0.59 -0.16 -1.13 -0.68 0.00 0.00 175.30 173.88 2yry n SER 11 N 1.66 1.54 -0.26 0.23 3.41 -1.26 -4.67 113.62 114.28 2yry n SER 11 Ca -0.16 0.10 0.01 0.00 -0.26 0.00 0.00 58.87 58.57 2yry n SER 11 Cb 0.52 -0.35 0.08 0.00 -0.26 0.00 0.00 64.21 64.21 2yry n SER 11 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2yry h HIS 12 N -0.36 -0.44 -3.85 7.33 6.17 -2.07 -3.40 115.15 118.54 2yry h HIS 12 Ca -0.34 0.07 -0.53 0.00 0.71 0.00 0.00 60.37 60.28 2yry h HIS 12 Cb 1.35 0.31 0.08 0.00 2.52 0.00 0.00 27.41 31.67 2yry h HIS 12 CO -0.03 -0.33 0.72 0.45 0.71 0.00 0.00 177.93 179.45 2yry s SER 13 N -5.24 6.55 0.04 3.26 0.15 -1.26 -5.03 113.70 112.17 2yry s SER 13 Ca -0.15 2.86 0.02 0.00 0.70 0.00 0.00 55.95 59.39 2yry s SER 13 Cb 0.22 -2.66 -0.02 0.00 -1.71 0.00 0.00 66.02 61.85 2yry s SER 13 CO 0.75 -0.72 -0.06 -0.04 1.20 0.00 0.00 173.24 174.36 2yry s MET 14 N -1.77 0.47 0.23 5.44 -1.94 -1.26 -5.03 119.30 115.43 2yry s MET 14 Ca 0.52 -0.71 -0.07 0.00 -1.71 0.00 0.00 55.69 53.72 2yry s MET 14 Cb -0.43 -0.19 -0.02 0.00 2.01 0.00 0.00 34.83 36.20 2yry s MET 14 CO 0.57 0.03 0.32 0.15 -0.01 0.00 0.00 175.02 176.07 2yry s LYS 15 N -1.51 1.40 -0.11 2.03 1.02 -1.26 -4.87 119.74 116.43 2yry s LYS 15 Ca -0.11 -1.44 -0.03 0.00 0.02 0.00 0.00 55.97 54.41 2yry s LYS 15 Cb -0.10 0.38 -0.03 0.00 -0.52 0.00 0.00 37.83 37.56 2yry s LYS 15 CO 0.00 -0.53 0.01 0.50 -0.92 0.00 0.00 175.35 174.41 2yry s ARG 16 N -4.06 3.24 0.56 1.68 3.52 -1.26 -5.10 118.95 117.53 2yry s ARG 16 Ca 0.30 -0.41 -0.16 0.00 -0.13 0.00 0.00 55.73 55.33 2yry s ARG 16 Cb 0.03 -2.88 -0.05 0.00 -1.56 0.00 0.00 34.95 30.49 2yry s ARG 16 CO 0.11 0.58 1.03 -0.80 -0.81 0.00 0.00 175.30 175.41 2yry s ASN 17 N -0.52 6.08 0.26 -2.12 0.01 -1.26 -4.97 114.94 112.41 2yry s ASN 17 Ca 0.09 1.75 0.04 0.00 -0.71 0.00 0.00 52.86 54.02 2yry s ASN 17 Cb -0.12 -2.53 0.34 0.00 0.41 0.00 0.00 41.25 39.35 2yry s ASN 17 CO 0.02 -0.96 1.64 1.55 -1.51 0.00 0.00 177.10 177.84 2yry h PRO 18 N 0.66 0.33 -0.88 -0.60 0.13 -2.05 -3.12 132.00 126.46 2yry h PRO 18 Ca -0.47 -0.18 -0.60 0.00 -0.87 0.00 0.00 66.00 63.88 2yry h PRO 18 Cb 1.21 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 32.02 2yry h PRO 18 CO 0.59 0.72 0.29 0.09 -0.23 0.00 0.00 178.00 179.47 2yry n ASN 19 N -3.99 6.32 -4.65 1.44 3.02 -1.26 -4.97 115.26 111.17 2yry n ASN 19 Ca -0.02 -3.77 -0.37 0.00 -0.03 0.00 0.00 54.58 50.39 2yry n ASN 19 Cb 0.52 -0.76 -0.09 0.00 -0.61 0.00 0.00 39.78 38.84 2yry n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yry s ALA 20 N -3.70 3.59 0.33 5.41 0.00 -1.18 -5.07 121.76 121.14 2yry s ALA 20 Ca 0.59 -0.87 -0.28 0.00 0.00 0.00 0.00 51.96 51.40 2yry s ALA 20 Cb 0.47 -2.39 -0.10 0.00 0.00 0.00 0.00 23.12 21.11 2yry s ALA 20 CO 0.01 -0.26 1.22 -1.25 0.00 0.00 0.00 175.76 175.48 2yry s PRO 21 N 1.20 4.40 -0.51 0.00 0.04 -1.26 -4.97 135.00 133.90 2yry s PRO 21 Ca 0.09 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.88 2yry s PRO 21 Cb -0.14 -3.05 0.02 0.00 0.04 0.00 0.00 34.50 31.38 2yry s PRO 21 CO 0.06 -0.08 1.23 0.08 0.04 0.00 0.00 177.00 178.33 2yry s VAL 22 N -1.19 4.05 0.08 -0.36 1.01 -1.26 -4.32 120.40 118.41 2yry s VAL 22 Ca 0.49 1.02 -0.33 0.00 0.00 0.00 0.00 61.98 63.15 2yry s VAL 22 Cb -0.36 -4.55 -0.17 0.00 0.00 0.00 0.00 36.38 31.30 2yry s VAL 22 CO 0.47 -1.09 1.61 0.74 0.00 0.00 0.00 175.10 176.84 2yry h THR 23 N 6.27 0.26 -2.28 3.92 2.02 0.20 -3.45 112.91 119.85 2yry h THR 23 Ca -0.25 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.89 2yry h THR 23 Cb 1.07 0.26 -0.23 0.00 -1.74 0.00 0.00 68.15 67.51 2yry h THR 23 CO 1.14 0.00 -0.09 -0.75 0.37 0.00 0.00 175.52 176.19 2yry s LYS 24 N -6.02 0.60 0.12 6.66 2.20 -1.04 -4.98 119.74 117.29 2yry s LYS 24 Ca -0.18 1.00 0.10 0.00 -0.36 0.00 0.00 55.97 56.53 2yry s LYS 24 Cb 0.04 0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.45 2yry s LYS 24 CO 0.62 -0.14 -0.25 0.00 -0.36 0.00 0.00 175.35 175.22 2yry s ALA 25 N 1.28 2.20 0.00 3.13 0.00 -1.26 0.06 121.76 127.16 2yry s ALA 25 Ca -0.08 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.49 2yry s ALA 25 Cb -0.06 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.72 2yry s ALA 25 CO -0.13 0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.52 2yry n GLY 26 N 0.97 2.39 3.68 0.00 0.00 -0.75 -5.03 105.19 106.46 2yry n GLY 26 Ca -0.18 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 2yry n GLY 26 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2yry s TRP 27 N -1.16 2.81 0.42 1.61 0.52 -1.26 -2.81 118.94 119.07 2yry s TRP 27 Ca 0.00 0.84 0.04 0.00 0.02 0.00 0.00 56.10 57.00 2yry s TRP 27 Cb 0.00 -3.63 -0.02 0.00 -1.15 0.00 0.00 33.47 28.67 2yry s TRP 27 CO 0.00 -2.30 0.13 -0.51 0.02 0.00 0.00 176.95 174.29 2yry s LEU 28 N 2.71 2.01 -0.20 2.99 1.43 -1.10 -4.86 118.68 121.66 2yry s LEU 28 Ca 0.62 -1.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.04 2yry s LEU 28 Cb -0.29 -0.12 0.02 0.00 0.03 0.00 0.00 46.19 45.83 2yry s LEU 28 CO 0.24 -0.94 -0.17 -0.36 0.23 0.00 0.00 176.35 175.35 2yry s PHE 29 N -3.18 2.87 -0.48 0.29 0.40 -1.12 -1.87 117.98 114.89 2yry s PHE 29 Ca 0.22 -1.69 -0.16 0.00 -0.60 0.00 0.00 56.93 54.70 2yry s PHE 29 Cb 0.02 -1.94 0.07 0.00 0.51 0.00 0.00 43.02 41.68 2yry s PHE 29 CO 0.14 -0.80 0.45 0.21 0.70 0.00 0.00 175.22 175.92 2yry s LYS 30 N 1.28 3.01 0.30 0.44 2.20 -0.48 -2.32 119.74 124.17 2yry s LYS 30 Ca 0.03 -1.25 -0.28 0.00 -0.36 0.00 0.00 55.97 54.11 2yry s LYS 30 Cb -0.14 -4.13 -0.14 0.00 -1.51 0.00 0.00 37.83 31.92 2yry s LYS 30 CO -0.11 -1.07 1.10 0.94 -0.36 0.00 0.00 175.35 175.85 2yry n GLN 31 N 5.42 1.57 -2.60 4.03 7.27 -1.24 -2.87 117.38 128.96 2yry n GLN 31 Ca -0.11 0.55 -0.42 0.00 0.07 0.00 0.00 57.00 57.09 2yry n GLN 31 Cb 0.44 -1.99 -0.03 0.00 2.41 0.00 0.00 30.24 31.07 2yry n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2yry s ALA 32 N -1.01 3.30 -0.16 1.69 0.00 -0.04 -4.87 121.76 120.66 2yry s ALA 32 Ca 0.58 0.60 -0.04 0.00 0.00 0.00 0.00 51.96 53.11 2yry s ALA 32 Cb -0.67 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 18.97 2yry s ALA 32 CO 0.60 -0.40 -0.18 0.45 0.00 0.00 0.00 175.76 176.23 2yry n SER 33 N 4.23 1.91 -4.39 0.00 2.88 -1.26 -4.56 113.62 112.43 2yry n SER 33 Ca 0.08 0.07 -0.45 0.00 -1.33 0.00 0.00 58.87 57.24 2yry n SER 33 Cb 0.49 -0.37 -0.03 0.00 -0.75 0.00 0.00 64.21 63.55 2yry n SER 33 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yry s SER 34 N -6.01 6.54 0.00 -3.46 0.01 -1.26 -4.86 113.70 104.66 2yry s SER 34 Ca -0.22 -2.07 0.00 0.00 1.31 0.00 0.00 55.95 54.98 2yry s SER 34 Cb 0.07 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.99 2yry s SER 34 CO 0.32 -0.93 0.00 0.61 0.41 0.00 0.00 173.24 173.65 2yry n GLY 35 N 4.95 0.37 3.89 3.44 0.00 -1.26 -5.09 105.19 111.49 2yry n GLY 35 Ca 0.11 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 2yry n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2yry s VAL 36 N -1.54 3.49 -0.45 1.61 -7.23 -1.26 -5.02 120.40 110.00 2yry s VAL 36 Ca 0.00 0.37 -0.22 0.00 -1.81 0.00 0.00 61.98 60.32 2yry s VAL 36 Cb 0.00 -3.46 0.03 0.00 0.56 0.00 0.00 36.38 33.51 2yry s VAL 36 CO 0.00 -0.58 0.73 -0.54 -0.31 0.00 0.00 175.10 174.40 2yry s LYS 37 N -5.29 3.34 0.18 4.82 3.01 -1.26 -4.65 119.74 119.89 2yry s LYS 37 Ca 0.57 -0.24 -0.18 0.00 -1.01 0.00 0.00 55.97 55.11 2yry s LYS 37 Cb -0.11 -3.95 0.06 0.00 -1.01 0.00 0.00 37.83 32.82 2yry s LYS 37 CO 0.50 -1.10 0.87 0.00 0.51 0.00 0.00 175.35 176.14 2yry n GLN 38 N 6.56 0.61 -5.10 1.68 10.64 -1.26 -5.03 117.38 125.48 2yry n GLN 38 Ca 0.01 -1.36 -0.32 0.00 -1.83 0.00 0.00 57.00 53.50 2yry n GLN 38 Cb 0.48 1.82 -0.15 0.00 -0.86 0.00 0.00 30.24 31.53 2yry n GLN 38 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 2yry s TRP 39 N -2.67 2.55 -0.25 2.61 0.52 -1.26 -0.86 118.94 119.57 2yry s TRP 39 Ca 0.19 -0.52 0.02 0.00 0.02 0.00 0.00 56.10 55.81 2yry s TRP 39 Cb -0.03 -1.63 0.05 0.00 -1.15 0.00 0.00 33.47 30.72 2yry s TRP 39 CO 0.05 -0.08 -0.12 -0.80 0.02 0.00 0.00 176.95 176.02 2yry s ASN 40 N -0.30 4.22 -0.19 2.95 0.01 -1.14 -4.96 114.94 115.53 2yry s ASN 40 Ca 0.01 -1.22 -0.29 0.00 -0.71 0.00 0.00 52.86 50.65 2yry s ASN 40 Cb -0.13 -1.55 -0.00 0.00 0.41 0.00 0.00 41.25 39.98 2yry s ASN 40 CO 0.02 -0.16 1.13 -0.75 -1.51 0.00 0.00 177.10 175.84 2yry s LYS 41 N 1.16 4.26 0.09 -0.60 2.20 -1.26 -1.38 119.74 124.21 2yry s LYS 41 Ca -0.06 1.49 0.00 0.00 -0.36 0.00 0.00 55.97 57.05 2yry s LYS 41 Cb -0.18 -3.68 -0.04 0.00 -1.51 0.00 0.00 37.83 32.41 2yry s LYS 41 CO -0.06 -0.64 -0.03 1.03 -0.36 0.00 0.00 175.35 175.29 2yry s ARG 42 N 3.24 0.78 -0.29 4.03 1.81 -0.78 -5.00 118.95 122.74 2yry s ARG 42 Ca 0.49 -1.32 -0.29 0.00 -1.72 0.00 0.00 55.73 52.89 2yry s ARG 42 Cb -0.18 0.03 -0.00 0.00 -0.45 0.00 0.00 34.95 34.34 2yry s ARG 42 CO 0.10 -0.10 1.32 -0.46 -0.68 0.00 0.00 175.30 175.49 2yry s TRP 43 N -3.81 2.65 -0.15 -0.53 -0.00 -1.00 -2.70 118.94 113.40 2yry s TRP 43 Ca 0.13 0.85 -0.08 0.00 -0.00 0.00 0.00 56.10 57.00 2yry s TRP 43 Cb 0.07 -3.90 -0.04 0.00 -0.00 0.00 0.00 33.47 29.60 2yry s TRP 43 CO -0.05 -1.80 0.12 -0.06 -0.00 0.00 0.00 176.95 175.16 2yry s PHE 44 N 4.40 3.48 -0.03 5.86 0.40 -1.12 -0.50 117.98 130.47 2yry s PHE 44 Ca 0.57 0.40 0.00 0.00 -0.60 0.00 0.00 56.93 57.31 2yry s PHE 44 Cb -0.17 -2.03 0.03 0.00 0.51 0.00 0.00 43.02 41.35 2yry s PHE 44 CO 0.23 0.51 0.00 0.08 0.70 0.00 0.00 175.22 176.74 2yry s VAL 45 N -0.37 0.14 -0.34 -0.44 1.01 0.13 -1.81 120.40 118.72 2yry s VAL 45 Ca 0.11 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 2yry s VAL 45 Cb -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.03 2yry s VAL 45 CO 0.01 0.13 0.19 -0.22 0.00 0.00 0.00 175.10 175.22 2yry s LEU 46 N 0.96 4.44 -0.01 3.92 2.96 0.11 0.32 118.68 131.39 2yry s LEU 46 Ca -0.09 -0.68 -0.00 0.00 -0.22 0.00 0.00 54.13 53.13 2yry s LEU 46 Cb -0.13 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.53 2yry s LEU 46 CO -0.02 -0.28 0.01 -0.69 -1.32 0.00 0.00 176.35 174.05 2yry s VAL 47 N 1.62 -0.02 -1.17 1.68 1.01 0.25 0.21 120.40 123.98 2yry s VAL 47 Ca 0.04 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 2yry s VAL 47 Cb -0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 36.38 36.14 2yry s VAL 47 CO 0.07 0.03 0.89 -0.67 0.00 0.00 0.00 175.10 175.42 2yry n ASP 48 N 3.43 -3.75 -1.99 3.32 -0.08 -1.26 -1.46 116.55 114.76 2yry n ASP 48 Ca -0.17 -0.73 -0.06 0.00 -1.51 0.00 0.00 54.79 52.31 2yry n ASP 48 Cb 0.57 -4.76 -0.01 0.00 2.34 0.00 0.00 41.12 39.26 2yry n ASP 48 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2yry n ARG 49 N -3.86 -2.05 -4.20 -0.67 1.74 -1.26 -4.88 116.66 101.47 2yry n ARG 49 Ca -0.20 0.34 -0.15 0.00 -0.77 0.00 0.00 57.85 57.07 2yry n ARG 49 Cb 0.65 -4.73 -0.11 0.00 -1.02 0.00 0.00 32.46 27.26 2yry n ARG 49 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2yry s LEU 51 N -2.59 4.03 -0.06 0.00 0.20 -1.15 -0.58 118.68 118.54 2yry s LEU 51 Ca 0.08 0.26 -0.01 0.00 0.69 0.00 0.00 54.13 55.15 2yry s LEU 51 Cb -0.02 -1.99 0.03 0.00 -0.43 0.00 0.00 46.19 43.78 2yry s LEU 51 CO 0.00 0.31 0.02 -0.36 -0.29 0.00 0.00 176.35 176.04 2yry s PHE 52 N -0.46 0.43 -0.21 5.38 0.08 0.15 -2.35 117.98 121.00 2yry s PHE 52 Ca 0.11 -0.01 -0.05 0.00 0.12 0.00 0.00 56.93 57.10 2yry s PHE 52 Cb -0.12 -0.64 -0.02 0.00 -0.57 0.00 0.00 43.02 41.67 2yry s PHE 52 CO 0.02 -0.26 -0.01 1.52 -0.10 0.00 0.00 175.22 176.39 2yry s TYR 53 N 1.89 3.02 0.16 0.36 1.13 -1.25 0.20 117.35 122.87 2yry s TYR 53 Ca 0.03 -0.56 0.06 0.00 -1.41 0.00 0.00 57.07 55.19 2yry s TYR 53 Cb -0.12 -2.09 -0.04 0.00 -1.10 0.00 0.00 41.96 38.61 2yry s TYR 53 CO -0.04 -0.31 0.06 0.71 -2.51 0.00 0.00 175.55 173.45 2yry s TYR 54 N 1.12 2.98 0.54 -3.49 1.51 0.35 -3.44 117.35 116.92 2yry s TYR 54 Ca 0.02 -0.08 0.23 0.00 -1.01 0.00 0.00 57.07 56.23 2yry s TYR 54 Cb -0.14 -1.45 1.40 0.00 -0.11 0.00 0.00 41.96 41.66 2yry s TYR 54 CO 0.01 0.52 2.07 1.57 -1.11 0.00 0.00 175.55 178.61 2yry h LYS 55 N 2.65 0.00 0.00 -0.62 -0.00 -1.86 -2.64 116.57 114.10 2yry h LYS 55 Ca -0.47 0.00 -0.13 0.00 -0.00 0.00 0.00 60.65 60.05 2yry h LYS 55 Cb 1.20 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 33.40 2yry h LYS 55 CO 0.60 0.00 -0.05 -0.40 -0.00 0.00 0.00 179.45 179.61 2yry n ASP 56 N -4.33 -0.80 -1.54 7.07 5.68 -1.26 -4.61 116.55 116.76 2yry n ASP 56 Ca 0.04 -1.99 -0.05 0.00 -0.50 0.00 0.00 54.79 52.29 2yry n ASP 56 Cb 0.38 1.46 0.01 0.00 -1.14 0.00 0.00 41.12 41.83 2yry n ASP 56 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2yry n GLU 57 N -0.30 1.24 -0.05 0.11 -0.00 -1.26 -3.71 120.64 116.66 2yry n GLU 57 Ca -0.00 -0.49 -0.01 0.00 -0.00 0.00 0.00 57.16 56.66 2yry n GLU 57 Cb 0.31 -1.19 -0.14 0.00 -0.00 0.00 0.00 31.44 30.42 2yry n GLU 57 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2yry n LYS 58 N 0.97 0.89 -4.02 3.44 5.02 -1.26 -5.01 118.16 118.18 2yry n LYS 58 Ca 0.09 -0.08 -0.31 0.00 -2.02 0.00 0.00 58.31 55.99 2yry n LYS 58 Cb 0.55 -1.45 -0.02 0.00 -0.02 0.00 0.00 35.03 34.09 2yry n LYS 58 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2yry n GLU 59 N -2.44 -1.87 -0.11 1.97 1.02 -1.24 -4.89 120.64 113.07 2yry n GLU 59 Ca -0.18 0.28 -0.20 0.00 -0.02 0.00 0.00 57.16 57.04 2yry n GLU 59 Cb 0.83 -3.89 -0.07 0.00 -0.02 0.00 0.00 31.44 28.28 2yry n GLU 59 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2yry n GLU 60 N -4.52 0.56 -3.93 3.49 -0.58 -1.26 -4.95 120.64 109.45 2yry n GLU 60 Ca -0.25 0.26 -0.29 0.00 -0.42 0.00 0.00 57.16 56.46 2yry n GLU 60 Cb 0.65 -1.48 -0.16 0.00 -0.57 0.00 0.00 31.44 29.88 2yry n GLU 60 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2yry s SER 61 N -6.71 3.03 -0.12 1.62 0.01 -1.26 -5.09 113.70 105.17 2yry s SER 61 Ca -0.33 -0.74 -0.29 0.00 1.31 0.00 0.00 55.95 55.89 2yry s SER 61 Cb 0.09 -1.03 -0.05 0.00 0.21 0.00 0.00 66.02 65.24 2yry s SER 61 CO 0.46 -0.17 1.82 -0.63 0.41 0.00 0.00 173.24 175.13 2yry s ILE 62 N 1.55 3.38 0.20 1.44 1.01 -1.26 -4.74 121.20 122.77 2yry s ILE 62 Ca 0.00 0.43 -0.05 0.00 0.00 0.00 0.00 60.65 61.03 2yry s ILE 62 Cb -0.16 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 2yry s ILE 62 CO -0.08 -0.12 1.56 -0.07 0.00 0.00 0.00 174.94 176.23 2yry h LEU 63 N 11.75 0.77 -6.86 2.97 3.38 -1.96 -3.45 115.31 121.91 2yry h LEU 63 Ca -0.40 -0.33 0.11 0.00 0.09 0.00 0.00 57.88 57.35 2yry h LEU 63 Cb 1.19 -0.21 -0.25 0.00 0.09 0.00 0.00 40.66 41.49 2yry h LEU 63 CO 0.97 1.05 0.23 -0.83 0.09 0.00 0.00 178.44 179.95 2yry s GLY 64 N -3.94 -0.22 -0.20 0.83 0.00 -1.26 -5.09 107.32 97.43 2yry s GLY 64 Ca -0.09 2.93 -0.08 0.00 0.00 0.00 0.00 44.72 47.48 2yry s GLY 64 CO 0.84 2.81 0.09 -1.35 0.00 0.00 0.00 173.10 175.49 2yry s SER 65 N 1.87 5.77 -0.23 1.64 1.04 -1.26 -3.78 113.70 118.76 2yry s SER 65 Ca -0.07 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.46 2yry s SER 65 Cb -0.05 -2.00 0.03 0.00 0.10 0.00 0.00 66.02 64.09 2yry s SER 65 CO -0.17 0.15 -0.11 -0.63 0.98 0.00 0.00 173.24 173.46 2yry s ILE 66 N 0.50 2.50 -0.12 -1.02 1.01 -0.99 -4.97 121.20 118.11 2yry s ILE 66 Ca 0.05 -1.11 -0.29 0.00 0.00 0.00 0.00 60.65 59.29 2yry s ILE 66 Cb -0.12 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 2yry s ILE 66 CO 0.00 0.26 1.54 -2.16 0.00 0.00 0.00 174.94 174.59 2yry s PRO 67 N 1.27 4.12 -0.01 2.79 0.04 -1.26 -2.92 135.00 139.04 2yry s PRO 67 Ca -0.00 1.94 0.19 0.00 0.04 0.00 0.00 61.00 63.17 2yry s PRO 67 Cb -0.16 -3.94 -0.19 0.00 0.04 0.00 0.00 34.50 30.25 2yry s PRO 67 CO -0.07 -0.90 0.60 1.28 0.04 0.00 0.00 177.00 177.95 2yry n LEU 68 N 7.25 0.49 0.19 -3.56 4.77 -1.26 -4.09 117.00 120.78 2yry n LEU 68 Ca 0.17 0.21 0.08 0.00 -0.03 0.00 0.00 56.01 56.44 2yry n LEU 68 Cb 0.44 0.14 0.43 0.00 -2.33 0.00 0.00 43.42 42.10 2yry n LEU 68 CO 0.61 0.17 0.85 0.25 -1.33 0.00 0.00 177.39 177.94 2yry h LEU 69 N 0.00 0.00 -4.22 2.23 5.85 -1.70 0.21 115.31 117.68 2yry h LEU 69 Ca -0.20 0.00 -0.47 0.00 0.84 0.00 0.00 57.88 58.04 2yry h LEU 69 Cb 1.56 0.00 -0.42 0.00 0.37 0.00 0.00 40.66 42.17 2yry h LEU 69 CO 0.03 0.00 -0.89 -1.54 -0.34 0.00 0.00 178.44 175.69 2yry n SER 70 N -2.18 4.04 -3.11 1.25 3.41 -1.25 -4.55 113.62 111.23 2yry n SER 70 Ca -0.01 -3.31 -0.18 0.00 -0.26 0.00 0.00 58.87 55.11 2yry n SER 70 Cb 0.33 -0.38 -0.07 0.00 -0.26 0.00 0.00 64.21 63.82 2yry n SER 70 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2yry n PHE 71 N -0.66 -0.81 -3.67 7.33 3.01 0.74 -4.44 117.46 118.95 2yry n PHE 71 Ca 0.34 -2.64 -0.29 0.00 1.01 0.00 0.00 57.45 55.87 2yry n PHE 71 Cb 0.91 0.30 -0.15 0.00 -0.01 0.00 0.00 39.48 40.52 2yry n PHE 71 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2yry s ARG 72 N -3.25 0.53 0.05 -1.08 6.06 -0.84 -4.63 118.95 115.80 2yry s ARG 72 Ca 0.37 -0.77 -0.21 0.00 -2.50 0.00 0.00 55.73 52.62 2yry s ARG 72 Cb 0.02 -1.76 -0.06 0.00 0.06 0.00 0.00 34.95 33.21 2yry s ARG 72 CO 0.26 -0.93 0.63 0.08 -2.50 0.00 0.00 175.30 172.85 2yry s VAL 73 N 1.82 4.76 -0.23 7.11 1.01 -1.26 -2.40 120.40 131.20 2yry s VAL 73 Ca 0.07 1.35 -0.27 0.00 0.00 0.00 0.00 61.98 63.13 2yry s VAL 73 Cb -0.17 -3.97 0.12 0.00 0.00 0.00 0.00 36.38 32.36 2yry s VAL 73 CO -0.25 0.47 1.01 0.00 0.00 0.00 0.00 175.10 176.32 2yry s ALA 74 N -0.59 -1.95 0.91 5.51 0.00 -0.99 -4.80 121.76 119.85 2yry s ALA 74 Ca 0.32 1.75 -0.15 0.00 0.00 0.00 0.00 51.96 53.88 2yry s ALA 74 Cb -0.20 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.75 2yry s ALA 74 CO 0.20 -0.27 -0.05 0.00 0.00 0.00 0.00 175.76 175.64 2yry n ALA 75 N 1.63 -3.53 -1.33 0.00 0.00 -1.26 -2.17 120.51 113.85 2yry n ALA 75 Ca -0.12 -0.55 -0.29 0.00 0.00 0.00 0.00 53.44 52.48 2yry n ALA 75 Cb 0.57 -1.55 0.20 0.00 0.00 0.00 0.00 19.45 18.67 2yry n ALA 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2yry s VAL 76 N -2.16 1.83 0.22 0.00 -7.23 -0.51 -4.63 120.40 107.93 2yry s VAL 76 Ca 0.52 0.00 0.10 0.00 -1.81 0.00 0.00 61.98 60.78 2yry s VAL 76 Cb -0.24 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 2yry s VAL 76 CO 0.72 0.00 -0.09 -1.10 -0.31 0.00 0.00 175.10 174.32 2yry s GLN 77 N -5.36 2.06 0.00 4.82 -0.21 -1.26 -5.01 119.66 114.70 2yry s GLN 77 Ca 0.69 -1.38 0.15 0.00 0.02 0.00 0.00 55.36 54.84 2yry s GLN 77 Cb -0.12 -2.10 0.75 0.00 1.00 0.00 0.00 33.01 32.54 2yry s GLN 77 CO 0.55 0.40 1.40 -0.35 -2.12 0.00 0.00 175.29 175.18 2yry n PRO 78 N -0.28 0.22 0.00 2.91 -0.04 -1.26 -1.87 135.00 134.68 2yry n PRO 78 Ca -0.09 0.14 0.08 0.00 -0.04 0.00 0.00 63.50 63.58 2yry n PRO 78 Cb 0.57 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.48 2yry n PRO 78 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2yry n SER 79 N -1.27 1.15 -4.82 3.54 3.41 -1.26 -5.00 113.62 109.37 2yry n SER 79 Ca 0.07 -1.08 -0.30 0.00 -0.26 0.00 0.00 58.87 57.31 2yry n SER 79 Cb 0.11 0.75 0.08 0.00 -0.26 0.00 0.00 64.21 64.90 2yry n SER 79 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2yry s ASP 80 N -2.20 4.66 -0.90 4.04 1.11 -0.78 -4.95 116.67 117.64 2yry s ASP 80 Ca 0.09 1.25 -0.05 0.00 0.18 0.00 0.00 52.55 54.02 2yry s ASP 80 Cb 0.12 -1.98 0.10 0.00 1.07 0.00 0.00 42.92 42.23 2yry s ASP 80 CO 0.53 -1.86 2.56 -0.46 1.18 0.00 0.00 175.17 177.12 2yry n ASN 81 N -3.35 7.29 -3.85 0.27 6.94 -1.26 -4.82 115.26 116.48 2yry n ASN 81 Ca 0.07 -3.18 -0.30 0.00 -0.02 0.00 0.00 54.58 51.14 2yry n ASN 81 Cb 0.57 -1.30 -0.15 0.00 -2.36 0.00 0.00 39.78 36.54 2yry n ASN 81 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2yry s ILE 82 N -1.74 1.51 -2.00 1.53 -1.09 -1.26 -4.95 121.20 113.20 2yry s ILE 82 Ca 0.56 -1.92 0.26 0.00 -2.23 0.00 0.00 60.65 57.32 2yry s ILE 82 Cb 0.28 -2.12 0.73 0.00 -1.58 0.00 0.00 42.46 39.78 2yry s ILE 82 CO -0.16 -0.67 1.95 -1.54 -1.23 0.00 0.00 174.94 173.29 2yry n SER 83 N 4.45 0.00 -4.72 3.58 3.41 -1.26 -4.74 113.62 114.34 2yry n SER 83 Ca 0.01 -1.04 -0.36 0.00 -0.26 0.00 0.00 58.87 57.23 2yry n SER 83 Cb 0.41 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.28 2yry n SER 83 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2yry s ARG 84 N -2.00 4.22 0.48 4.33 0.52 -1.26 -5.08 118.95 120.16 2yry s ARG 84 Ca 0.39 -0.03 -0.18 0.00 -0.52 0.00 0.00 55.73 55.38 2yry s ARG 84 Cb 0.18 -3.44 -0.09 0.00 0.52 0.00 0.00 34.95 32.12 2yry s ARG 84 CO 0.30 0.23 0.97 0.15 0.02 0.00 0.00 175.30 176.97 2yry s LYS 85 N 0.53 4.06 -0.61 3.54 1.02 -1.26 -4.27 119.74 122.75 2yry s LYS 85 Ca 0.13 1.02 -0.02 0.00 0.02 0.00 0.00 55.97 57.12 2yry s LYS 85 Cb -0.12 -2.16 -0.02 0.00 -0.52 0.00 0.00 37.83 35.01 2yry s LYS 85 CO 0.02 -0.17 0.52 0.72 -0.92 0.00 0.00 175.35 175.52 2yry n HIS 86 N -1.19 -1.27 -4.37 3.18 8.25 -1.26 -4.53 115.22 114.03 2yry n HIS 86 Ca 0.07 0.49 -0.24 0.00 -0.26 0.00 0.00 57.72 57.78 2yry n HIS 86 Cb 0.54 -3.53 -0.11 0.00 1.12 0.00 0.00 29.99 28.01 2yry n HIS 86 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2yry s THR 87 N -3.20 2.04 -0.11 1.59 2.01 -1.26 -1.36 115.64 115.35 2yry s THR 87 Ca 0.13 -2.00 -0.10 0.00 0.31 0.00 0.00 61.69 60.03 2yry s THR 87 Cb -0.02 -1.98 0.03 0.00 0.01 0.00 0.00 72.50 70.55 2yry s THR 87 CO 0.40 -0.27 0.29 0.72 -0.69 0.00 0.00 174.62 175.08 2yry s PHE 88 N -1.99 -0.33 0.07 4.92 -0.71 -0.09 -1.42 117.98 118.42 2yry s PHE 88 Ca 0.19 0.80 0.08 0.00 -1.04 0.00 0.00 56.93 56.95 2yry s PHE 88 Cb -0.06 0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.82 2yry s PHE 88 CO 0.08 -0.17 -0.18 -1.59 -1.34 0.00 0.00 175.22 172.03 2yry s LYS 89 N 0.31 1.98 -0.14 1.99 0.00 -0.92 -0.40 119.74 122.54 2yry s LYS 89 Ca -0.01 -1.05 0.01 0.00 0.00 0.00 0.00 55.97 54.92 2yry s LYS 89 Cb -0.03 -2.16 0.02 0.00 0.00 0.00 0.00 37.83 35.65 2yry s LYS 89 CO -0.01 0.52 -0.17 0.00 0.00 0.00 0.00 175.35 175.69 2yry s ALA 90 N -1.00 1.97 -0.02 0.59 0.00 0.10 -2.34 121.76 121.06 2yry s ALA 90 Ca 0.16 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 2yry s ALA 90 Cb -0.11 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 22.01 2yry s ALA 90 CO 0.07 -0.24 0.04 -1.83 0.00 0.00 0.00 175.76 173.79 2yry s GLU 91 N 1.22 0.02 0.00 0.00 1.03 -1.01 0.34 118.70 120.30 2yry s GLU 91 Ca 0.00 0.10 0.29 0.00 0.03 0.00 0.00 54.97 55.39 2yry s GLU 91 Cb -0.14 -0.06 1.20 0.00 -0.80 0.00 0.00 34.13 34.33 2yry s GLU 91 CO -0.07 -0.06 1.86 1.58 -1.33 0.00 0.00 175.26 177.24 2yry n HIS 92 N 3.42 0.00 -2.57 4.83 -0.00 -1.21 -1.99 115.22 117.70 2yry n HIS 92 Ca -0.17 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 57.93 2yry n HIS 92 Cb 0.57 -0.27 0.04 0.00 -0.12 0.00 0.00 29.99 30.21 2yry n HIS 92 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2yry n ALA 93 N -1.18 -1.29 0.00 1.57 0.00 -1.26 -4.77 120.51 113.58 2yry n ALA 93 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2yry n ALA 93 Cb 0.29 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.37 2yry n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yry n GLY 94 N -1.21 0.00 0.66 0.00 0.00 -1.26 -5.02 105.19 98.35 2yry n GLY 94 Ca -0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 2yry n GLY 94 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2yry n VAL 95 N 0.00 1.08 -4.01 1.61 0.24 -1.26 -5.14 118.33 110.85 2yry n VAL 95 Ca 0.00 0.13 0.03 0.00 -2.04 0.00 0.00 64.34 62.46 2yry n VAL 95 Cb 0.00 -1.81 0.01 0.00 -1.47 0.00 0.00 33.84 30.57 2yry n VAL 95 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2yry n ARG 96 N -3.75 0.18 -3.69 7.34 1.85 -1.26 -5.07 116.66 112.25 2yry n ARG 96 Ca -0.12 -0.77 -0.29 0.00 -1.00 0.00 0.00 57.85 55.68 2yry n ARG 96 Cb 0.37 1.27 -0.16 0.00 -1.05 0.00 0.00 32.46 32.90 2yry n ARG 96 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2yry s THR 97 N -2.02 0.52 0.58 8.89 2.01 -1.26 -3.32 115.64 121.05 2yry s THR 97 Ca 0.30 -0.90 -0.09 0.00 0.31 0.00 0.00 61.69 61.31 2yry s THR 97 Cb -0.01 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 2yry s THR 97 CO -0.01 -0.49 0.96 -0.31 -0.69 0.00 0.00 174.62 174.09 2yry s TYR 98 N 1.82 3.57 0.04 4.92 2.02 0.15 -4.83 117.35 125.04 2yry s TYR 98 Ca 0.05 1.09 0.03 0.00 -0.37 0.00 0.00 57.07 57.87 2yry s TYR 98 Cb -0.17 -2.63 -0.02 0.00 -0.40 0.00 0.00 41.96 38.74 2yry s TYR 98 CO -0.20 -0.62 -0.09 -0.06 -1.57 0.00 0.00 175.55 173.01 2yry s PHE 99 N -3.06 0.78 -0.17 2.71 0.40 -1.26 0.01 117.98 117.40 2yry s PHE 99 Ca 0.53 -0.40 -0.07 0.00 -0.60 0.00 0.00 56.93 56.39 2yry s PHE 99 Cb -0.11 -0.47 0.08 0.00 0.51 0.00 0.00 43.02 43.03 2yry s PHE 99 CO 0.51 -0.04 0.37 -0.06 0.70 0.00 0.00 175.22 176.70 2yry s PHE 100 N -1.06 -0.64 0.18 0.36 0.08 0.46 -3.65 117.98 113.71 2yry s PHE 100 Ca -0.05 1.31 0.05 0.00 0.12 0.00 0.00 56.93 58.36 2yry s PHE 100 Cb -0.08 0.19 -0.04 0.00 -0.57 0.00 0.00 43.02 42.53 2yry s PHE 100 CO 0.01 -0.41 0.18 0.45 -0.10 0.00 0.00 175.22 175.34 2yry s SER 101 N 2.31 5.65 0.03 1.36 0.15 -0.98 -0.92 113.70 121.30 2yry s SER 101 Ca -0.03 -0.11 0.06 0.00 0.70 0.00 0.00 55.95 56.57 2yry s SER 101 Cb -0.11 -1.50 -0.02 0.00 -1.71 0.00 0.00 66.02 62.67 2yry s SER 101 CO -0.11 0.04 -0.17 0.00 1.20 0.00 0.00 173.24 174.19 2yry s ALA 102 N -1.84 1.42 0.28 5.45 0.00 -0.46 -2.80 121.76 123.81 2yry s ALA 102 Ca 0.32 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 2yry s ALA 102 Cb -0.10 -0.27 0.40 0.00 0.00 0.00 0.00 23.12 23.15 2yry s ALA 102 CO 0.25 0.31 1.82 0.93 0.00 0.00 0.00 175.76 179.06 2yry h GLU 103 N 5.08 0.81 -6.15 0.00 5.08 -1.89 -3.44 114.58 114.07 2yry h GLU 103 Ca -0.39 -0.17 -0.56 0.00 -1.00 0.00 0.00 59.36 57.24 2yry h GLU 103 Cb 1.17 -0.12 -0.19 0.00 0.50 0.00 0.00 28.75 30.11 2yry h GLU 103 CO 0.45 0.74 -0.81 -1.54 -1.00 0.00 0.00 179.01 176.86 2yry s SER 104 N -6.60 2.78 0.44 1.42 1.04 -1.26 -5.04 113.70 106.49 2yry s SER 104 Ca -0.10 -0.81 0.22 0.00 0.48 0.00 0.00 55.95 55.75 2yry s SER 104 Cb 0.15 -0.17 0.96 0.00 0.10 0.00 0.00 66.02 67.07 2yry s SER 104 CO 0.80 0.03 1.86 1.55 0.98 0.00 0.00 173.24 178.45 2yry h PRO 105 N 3.52 0.00 0.00 4.02 0.13 -1.92 -2.63 132.00 135.12 2yry h PRO 105 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2yry h PRO 105 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2yry h PRO 105 CO 0.47 0.26 0.00 0.93 -0.23 0.00 0.00 178.00 179.42 2yry h GLU 106 N 0.00 0.00 0.04 0.86 4.39 -1.98 -2.93 114.58 114.95 2yry h GLU 106 Ca -0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 2yry h GLU 106 Cb 0.68 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.30 2yry h GLU 106 CO 0.03 0.00 -1.59 0.39 -1.16 0.00 0.00 179.01 176.69 2yry n GLU 107 N -2.66 0.62 0.16 2.33 1.02 -1.00 -3.44 120.64 117.67 2yry n GLU 107 Ca 0.01 0.46 -0.15 0.00 -0.02 0.00 0.00 57.16 57.46 2yry n GLU 107 Cb 0.28 -1.71 -0.08 0.00 -0.02 0.00 0.00 31.44 29.90 2yry n GLU 107 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2yry h GLN 108 N -0.67 -0.70 -0.24 3.49 4.15 -1.51 0.26 115.11 119.89 2yry h GLN 108 Ca -0.40 0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.10 2yry h GLN 108 Cb 1.55 0.16 -0.03 0.00 0.21 0.00 0.00 27.48 29.36 2yry h GLN 108 CO -0.14 -0.47 0.02 1.05 -1.93 0.00 0.00 178.83 177.36 2yry h GLU 109 N -0.73 0.10 -0.71 1.69 4.11 -1.73 -1.51 114.58 115.80 2yry h GLU 109 Ca -0.00 -0.01 0.08 0.00 0.07 0.00 0.00 59.36 59.50 2yry h GLU 109 Cb 0.72 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.88 2yry h GLU 109 CO -0.20 0.07 0.38 0.00 0.07 0.00 0.00 179.01 179.33 2yry h ALA 110 N 1.19 0.97 0.29 1.06 0.00 -1.50 -2.16 119.26 119.12 2yry h ALA 110 Ca 0.11 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2yry h ALA 110 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2yry h ALA 110 CO -0.17 0.01 -0.14 -1.49 0.00 0.00 0.00 179.25 177.46 2yry h TRP 111 N 0.66 -0.37 -0.78 0.00 4.06 0.08 -2.82 115.95 116.78 2yry h TRP 111 Ca 0.34 -0.01 0.17 0.00 2.06 0.00 0.00 58.89 61.44 2yry h TRP 111 Cb 0.29 0.12 -0.11 0.00 -1.00 0.00 0.00 29.16 28.47 2yry h TRP 111 CO -0.09 -0.22 0.28 0.82 -3.56 0.00 0.00 178.44 175.67 2yry h ILE 112 N -0.41 0.56 -0.87 1.49 2.04 -0.90 0.29 117.51 119.71 2yry h ILE 112 Ca -0.04 -0.13 0.20 0.00 1.00 0.00 0.00 64.86 65.89 2yry h ILE 112 Cb 0.31 0.16 -0.11 0.00 -0.74 0.00 0.00 36.82 36.43 2yry h ILE 112 CO 0.07 0.07 0.39 1.56 0.00 0.00 0.00 178.15 180.23 2yry h GLN 113 N 0.37 0.44 0.00 2.37 4.20 -1.14 1.20 115.11 122.55 2yry h GLN 113 Ca 0.45 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.10 2yry h GLN 113 Cb 0.76 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 2yry h GLN 113 CO -0.47 0.29 -0.21 0.00 -0.67 0.00 0.00 178.83 177.76 2yry h ALA 114 N 1.66 0.03 0.72 3.87 0.00 -0.89 -3.24 119.26 121.41 2yry h ALA 114 Ca 0.52 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2yry h ALA 114 Cb 0.92 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2yry h ALA 114 CO -0.48 0.14 -0.40 0.52 0.00 0.00 0.00 179.25 179.03 2yry h MET 115 N -1.00 -0.99 -0.88 0.00 2.86 -0.27 0.22 114.93 114.86 2yry h MET 115 Ca -0.04 0.07 0.20 0.00 -2.06 0.00 0.00 59.70 57.86 2yry h MET 115 Cb 0.62 0.23 -0.16 0.00 0.06 0.00 0.00 31.60 32.34 2yry h MET 115 CO -0.03 -0.66 -0.13 0.78 1.06 0.00 0.00 176.91 177.93 2yry h GLY 116 N -1.03 0.80 0.65 8.32 0.00 0.13 0.16 103.07 112.10 2yry h GLY 116 Ca -0.10 0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 2yry h GLY 116 CO 0.12 -0.36 -0.15 0.83 0.00 0.00 0.00 176.54 176.98 2yry h GLU 117 N 0.02 -0.39 0.00 4.80 5.08 -1.55 -2.60 114.58 119.94 2yry h GLU 117 Ca 0.46 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 2yry h GLU 117 Cb 0.78 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2yry h GLU 117 CO -0.87 -0.07 0.22 0.00 -1.00 0.00 0.00 179.01 177.29 2yry h ALA 118 N -0.23 1.15 0.14 3.43 0.00 0.71 0.36 119.26 124.83 2yry h ALA 118 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.55 2yry h ALA 118 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2yry h ALA 118 CO 0.07 -0.15 -1.65 0.00 0.00 0.00 0.00 179.25 177.51 2yry h ALA 119 N 1.42 0.22 -1.81 0.00 0.00 -0.43 -3.24 119.26 115.42 2yry h ALA 119 Ca 0.00 -1.17 -0.52 0.00 0.00 0.00 0.00 54.91 53.22 2yry h ALA 119 Cb 0.44 0.52 0.24 0.00 0.00 0.00 0.00 17.79 18.99 2yry h ALA 119 CO 0.00 0.99 -1.67 0.54 0.00 0.00 0.00 179.25 179.10 2yry n ARG 120 N -3.73 -0.23 0.00 0.00 1.74 0.11 -3.94 116.66 110.62 2yry n ARG 120 Ca -0.26 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 56.76 2yry n ARG 120 Cb 0.99 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 31.17 2yry n ARG 120 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2yry n VAL 121 N -3.14 0.00 1.22 1.55 0.31 -1.26 -4.83 118.33 112.17 2yry n VAL 121 Ca 0.00 -0.31 0.13 0.00 -0.01 0.00 0.00 64.34 64.16 2yry n VAL 121 Cb 0.60 0.84 0.29 0.00 -0.91 0.00 0.00 33.84 34.66 2yry n VAL 121 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18